SCHEMBL680054

SCHEMBL680054

CC(=O)N1CCN(C(C)(C)C)CC1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
SMN1; SMN2 Q16637 2/20 0.44
KDM4E B2RXH2 1/20 0.44
PIK3CD O00329 1/20 0.43
HRH3 Q9Y5N1 2/20 0.41
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
HSP90AA1 P07900 1/20 0.39
HSP90AB1 P08238 1/20 0.39
CASP6 P55212 1/20 0.38
GFER P55789 1/20 0.38
EPHX2 P34913 2/20 0.38
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8260425 0.91 CYP1A2 (0.46) CYP1A2TDP1SMN1; SMN2KDM4EPIK3CD
SCHEMBL13396251 0.86 CYP1A2 (0.44) CYP1A2TDP1SMN1; SMN2KDM4EPIK3CD
SCHEMBL19012649 0.83 PIK3CD (0.44) CYP1A2TDP1SMN1; SMN2KDM4EPIK3CD
SCHEMBL12139766 0.83 GAA (0.48) CYP1A2TDP1KDM4EPIK3CDHRH3
SCHEMBL20329945 0.83 HRH3 (0.40) CYP1A2TDP1HRH3ALDH1A1
SCHEMBL15932263 0.81 HRH3 (0.39) CYP1A2TDP1HRH3ALDH1A1
SCHEMBL14407779 0.81 CYP1A2 (0.77) CYP1A2TDP1SMN1; SMN2KDM4EPIK3CD
SCHEMBL860793 0.81 CYP1A2 (0.77) CYP1A2TDP1SMN1; SMN2KDM4EPIK3CD
SCHEMBL37407 0.81
SCHEMBL22256970 0.81 USP2 (0.49) CYP1A2TDP1SMN1; SMN2KDM4EKMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 528 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240239809-A1 THERAPEUTIC AGENTS FOR ENHANCING EPITHELIAL AND/OR ENDOTHELIAL BARRIER FUNCTION ARTUS THERAPEUTICS INC (US) 2024-07-18 US disclosed
US-20240239792-A1 MODULATORS OF BCL-2 OR BCL-2/BCL-XL AND USES THEREOF ASIA VISION LIMITED (CN) 2024-07-18 US disclosed
US-20240239792-A1 MODULATORS OF BCL-2 OR BCL-2/BCL-XL AND USES THEREOF ASIA VISION LIMITED (CN) 2024-07-18 US disclosed
US-20240239809-A1 THERAPEUTIC AGENTS FOR ENHANCING EPITHELIAL AND/OR ENDOTHELIAL BARRIER FUNCTION ARTUS THERAPEUTICS INC (US) 2024-07-18 US disclosed
US-12036209-B2 Compounds and methods for the targeted degradation of Interleukin-1 receptor-associated kinase 4 polypeptides ARVINAS OPERATIONS, INC. (US) 2024-07-16 US disclosed
US-12018015-B2 Methods and compositions for targeting PD-L1 ALIGOS THERAPEUTICS, INC. (US) 2024-06-25 US disclosed
US-20240067640-A1 PHENYL MALEIMIDE LINKER AGENTS FIREFLY BIO, INC. 2024-02-29 US disclosed
US-11834454-B2 Alkynylphenylbenzamide compounds and applications thereof SHENZHEN NEWDEL BIOTECH CO., LTD. (CN) 2023-12-05 US disclosed
US-11834412-B2 Derivatives of aryl hydrocarbon receptor agonists AZORA THERAPEUTICS, INC. (US) 2023-12-05 US disclosed
US-11834412-B2 Derivatives of aryl hydrocarbon receptor agonists AZORA THERAPEUTICS, INC. (US) 2023-12-05 US disclosed
US-20070179140-A1 Stereoisomerically Enriched 3-Aminocarbonyl Bicycloheptene Pyrimidinediamine Compounds And Their Uses RIGEL PHARMACEUTICALS, INC. (US) 2007-08-02 US disclosed
US-20070155966-A1 Pyridyl Substituted Heterocycles Useful For Treating Or Preventing HCV Infection RIGEL PHARMACEUTICALS, INC. (US) 2007-07-05 US disclosed
US-20070129364-A1 Pyrrolopyridine kinase inhibiting compounds OSI PHARMACEUTICALS, INC. 2007-06-07 US disclosed
US-20070129364-A1 Pyrrolopyridine kinase inhibiting compounds OSI PHARMACEUTICALS, INC. 2007-06-07 US disclosed
US-20070117796-A1 Carbamate compounds as 5-HT4 receptor agonists THERAVANCE, INC. 2007-05-24 US disclosed
US-20070111981-A1 New (hetero)aryl compounds with MCH antagonistic activity and medicaments comprising these compounds ROTH GERALD J 2007-05-17 US disclosed
US-20070049586-A1 8-methoxy-9H-isothiazolo[5,4-b]quinoline-3,4-diones and related compounds as anti-infective agents ACHILLION PHARMACEUTICALS, INC. 2007-03-01 US disclosed
US-20070049586-A1 8-methoxy-9H-isothiazolo[5,4-b]quinoline-3,4-diones and related compounds as anti-infective agents ACHILLION PHARMACEUTICALS, INC. 2007-03-01 US disclosed
US-20070004723-A1 Heterocyclic compounds having an oxadiazole moiety and hydro isomers thereof MIDCAP FINANCIAL TRUST 2007-01-04 US disclosed
US-7157473-B2 Pyridyl substituted heterocycles useful for treating or preventing HCV infection RIGEL PHARMACEUTICALS, INC. (US) 2007-01-02 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (14 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070111981-A1 New (hetero)aryl compounds with MCH antagonistic activity and medicaments comprising these compounds MCHR1, GPR119, MCHR2 CYP1A2 667/4885TDP1 4269/4885SMN1; SMN2 4210/4885
US-11834412-B2 Derivatives of aryl hydrocarbon receptor agonists AHR, ARNT, NR4A1 CYP1A2 123/4885TDP1 3191/4885SMN1; SMN2 3545/4885
US-20240239792-A1 MODULATORS OF BCL-2 OR BCL-2/BCL-XL AND USES THEREOF BCL2, BCL2L2, BCL2L1 CYP1A2 3232/4885TDP1 3955/4885SMN1; SMN2 2622/4885
US-12036209-B2 Compounds and methods for the targeted degradation of Interleukin-1 receptor-associated kinase 4 polypeptides IRAK1, IRAK4, IRAK2 CYP1A2 4854/4885TDP1 985/4885SMN1; SMN2 1811/4885
US-12018015-B2 Methods and compositions for targeting PD-L1 CD274, PDCD1LG2, PDCD1 CYP1A2 3563/4885TDP1 2926/4885SMN1; SMN2 3106/4885
US-20070117796-A1 Carbamate compounds as 5-HT4 receptor agonists HTR4, HTR1A, HTR2B CYP1A2 648/4885TDP1 2246/4885SMN1; SMN2 3440/4885
US-20070179140-A1 Stereoisomerically Enriched 3-Aminocarbonyl Bicycloheptene Pyrimidinediamine Compounds And Their Uses MKI67, PCNA, CCNI CYP1A2 1388/4885TDP1 2623/4885SMN1; SMN2 2781/4885
US-11834454-B2 Alkynylphenylbenzamide compounds and applications thereof ALK, NTRK1, ERBB2 CYP1A2 1952/4885TDP1 2371/4885SMN1; SMN2 4096/4885
US-20070004723-A1 Heterocyclic compounds having an oxadiazole moiety and hydro isomers thereof HAVCR2, PCNA, HCCS CYP1A2 367/4885TDP1 4009/4885SMN1; SMN2 3630/4885
US-20070155966-A1 Pyridyl Substituted Heterocycles Useful For Treating Or Preventing HCV Infection HAVCR2, HCCS, NQO1 CYP1A2 139/4885TDP1 4364/4885SMN1; SMN2 3877/4885
US-20240239809-A1 THERAPEUTIC AGENTS FOR ENHANCING EPITHELIAL AND/OR ENDOTHELIAL BARRIER FUNCTION LIPG, FABP2, EPCAM CYP1A2 4754/4885TDP1 4237/4885SMN1; SMN2 4232/4885
US-20240067640-A1 PHENYL MALEIMIDE LINKER AGENTS TPX2, H1-4, MAPT CYP1A2 3276/4885TDP1 274/4885SMN1; SMN2 846/4885
US-20070129364-A1 Pyrrolopyridine kinase inhibiting compounds BMX, ERBB2, FRK CYP1A2 3426/4885TDP1 1402/4885SMN1; SMN2 1697/4885
US-20070049586-A1 8-methoxy-9H-isothiazolo[5,4-b]quinoline-3,4-diones and related compounds as anti-infective agents TOP1, TOP2B, DNA2 CYP1A2 662/4885TDP1 424/4885SMN1; SMN2 4142/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.